(1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol

C14H18O — CID 101152494

IUPAC(1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESC/C=C/C[C@@H]1CCc2ccccc2[C@H]1O
InChIInChI=1S/C14H18O/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)15/h2-5,7-8,12,14-15H,6,9-10H2,1H3/b3-2+/t12-,14+/m1/s1
InChIKeyUWOLLNYXCWSXKZ-VJTBZZIASA-N
MW202.30 g/mol
LogP3.25
Rot. Bonds2

About (1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol

(1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 101152494) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID101152494
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESC/C=C/C[C@@H]1CCc2ccccc2[C@H]1O
InChIInChI=1S/C14H18O/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)15/h2-5,7-8,12,14-15H,6,9-10H2,1H3/b3-2+/t12-,14+/m1/s1
InChIKeyUWOLLNYXCWSXKZ-VJTBZZIASA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 107900940
(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 70291111
2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10856608
2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63460691
2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79424384
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 104565816
2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 106729008
2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62339034
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685
6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79422801

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 101152494) is (1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol is C/C=C/C[C@@H]1CCc2ccccc2[C@H]1O.
What is the InChIKey of (1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is UWOLLNYXCWSXKZ-VJTBZZIASA-N. The full InChI is InChI=1S/C14H18O/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)15/h2-5,7-8,12,14-15H,6,9-10H2,1H3/b3-2+/t12-,14+/m1/s1.
What are the key properties of (1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 202.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 101152494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).